General Information of the Compound
| Compound ID |
CP0437123
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| Compound Name |
12-(4-hexyl-3-hydroxy-phenoxy)-dodecanoic acid(2-hydroxy-ethyl)-amide
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| Structure |
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| Formula |
C26H45NO4
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| Molecular Weight |
435.649
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| Canonical SMILES |
CCCCCCc1ccc(OCCCCCCCCCCCC(=O)NCCO)cc1O
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| InChI |
InChI=1S/C26H45NO4/c1-2-3-4-12-15-23-17-18-24(22-25(23)29)31-21-14-11-9-7-5-6-8-10-13-16-26(30)27-19-20-28/h17-18,22,28-29H,2-16,19-21H2,1H3,(H,27,30)
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| InChIKey |
XKELDNSNSJFQKT-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2